[3-nitro-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-(4-pyridin-1-iumyl)-1-piperazinyl]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)phenyl]-phenylmethanone Traditional Name: [3-nitro-4-(4-pyridin-1-ium-4-ylpiperazino)phenyl]-phenyl-methanone Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3/c27-22(17-4-2-1-3-5-17)18-6-7-20(21(16-18)26(28)29)25-14-12-24(13-15-25)19-8-10-23-11-9-19/h1-11,16H,12-15H2/p+1